N-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine

C9H10N6O2 — CID 103132085

IUPACN-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(-c2ccn(C)n2)c1[N+](=O)[O-]
InChIInChI=1S/C9H10N6O2/c1-10-9-8(15(16)17)7(11-5-12-9)6-3-4-14(2)13-6/h3-5H,1-2H3,(H,10,11,12)
InChIKeyDFEQCHWYEQVPHN-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.83
Rot. Bonds3

About N-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine

N-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine (PubChem CID 103132085) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine
PubChem CID103132085
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC NameN-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(-c2ccn(C)n2)c1[N+](=O)[O-]
InChIInChI=1S/C9H10N6O2/c1-10-9-8(15(16)17)7(11-5-12-9)6-3-4-14(2)13-6/h3-5H,1-2H3,(H,10,11,12)
InChIKeyDFEQCHWYEQVPHN-UHFFFAOYSA-N
XLogP0.83
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(5-bromo-2-fluorophenyl)-N-methyl-5-nitropyrimidin-4-amine
CID 79742438
N-methyl-6-methylsulfanyl-5-nitropyrimidin-4-amine
CID 80886578
N-methyl-5-nitro-6-(3-propyltriazol-4-yl)pyrimidin-4-amine
CID 114691192
6-N-ethyl-4-N-(1-methylpyrazol-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80850004
N-methyl-6-(7-methyl-1-benzofuran-2-yl)-5-nitropyrimidin-4-amine
CID 114734671
4-N-[(1-methylpyrazol-3-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 82875706
4-N-(4-chloro-3-fluorophenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80804001
6-(4-chlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 2822070
6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
CID 23486998
1-methyl-2-[6-(2-methylhydrazinyl)-5-nitropyrimidin-4-yl]hydrazine
CID 101253876
6-N-methyl-4-N-[2-(1-methylimidazol-2-yl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 78955451
N-methyl-6-[(2-methylpropan-2-yl)oxy]-5-nitropyrimidin-4-amine
CID 80861886

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine (CID 103132085) is N-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine is CNc1ncnc(-c2ccn(C)n2)c1[N+](=O)[O-].
What is the InChIKey of N-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine?
The InChIKey is DFEQCHWYEQVPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-10-9-8(15(16)17)7(11-5-12-9)6-3-4-14(2)13-6/h3-5H,1-2H3,(H,10,11,12).
What are the key properties of N-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine?
N-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine has a molecular weight of 234.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-methylpyrazol-3-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 103132085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).